General Information of the Compound
| Compound ID |
CP0920942
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-{[(5-{[(phenylmethyl)oxy]methyl}-1,2,4-oxadiazol-3-yl)methyl]oxy}quinazolin-4-amine
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| Structure |
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| Formula |
C26H21Cl2N5O4
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| Molecular Weight |
538.391
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(COCc2ccccc2)no1
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| InChI |
InChI=1S/C26H21Cl2N5O4/c1-34-22-10-18-21(29-15-30-26(18)31-17-7-8-19(27)20(28)9-17)11-23(22)36-14-25-32-24(33-37-25)13-35-12-16-5-3-2-4-6-16/h2-11,15H,12-14H2,1H3,(H,29,30,31)
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| InChIKey |
FGQMTFNXIHXUTF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound